Chromone 乙色唑

CAS 491-38-3 MFCD00024064

化学结构图

491-38-3
SMILES: O=c1ccoc2ccccc12

化学属性

Mol. FormulaC9H6O2
Mol. Weight146.14
Melting Point55-60°C
Boiling Point239°C at 760 mmHg
Flash Point107°C

别名和识别编码

Chemical NameChromone
Synonym 4H-Chromen-4-one {LY} 4H-Chromen-4-one {} {LY} 4H-Chromen-4-one {} {} {LY} 4H-Chromen-4-one {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-Chromen-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00024064
CAS Number491-38-3
PubChem Substance ID10286
EC Number207-737-9
Chemical Name Translation乙色唑
Wiswesser Line NotationT66 BO EVJ
Beilstein Registry Number0114087
InChIInChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
LabNetwork Molecule IDLN00370185
Canonical SMILESO=C1C=COC2=CC=CC=C12
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分类

  • {SNA} Benzopyrans, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ketone; ether; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science

安全信息

WGK Germany3
RTECSGB7887000
Hazard Codes Xn
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 91 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
REFERENCE :
   PMDCAY Progress in Medical Chemistry.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1961- Volume(issue)/page/year:
   9,65,1973

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 图谱信息:乙色唑(491-38-3)核磁图( 1 HNMR)
  • Sigma Aldrich:491-38-3(sigmaaldrich)
  • MOL 文件:491-38-3.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzopyrans 苯并吡喃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzopyrans 苯并吡喃

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